NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4633 8.1776 116.7935 58.6279 64.0651 174.8068 2 M 4.3843 8.6659 121.0582 55.3766 30.4747 175.9892 3 Q 4.0592 8.3954 121.9957 58.8829 30.1698 177.2965 4 D 4.7695 7.6562 117.2581 51.2619 41.4783 173.7472 5 P 4.4035 0.0000 0.0000 64.5841 31.7095 178.0645 6 I 3.6233 7.7656 118.3315 64.4355 37.0117 177.8566 7 A 3.9776 8.3712 121.5204 55.3300 18.0009 179.0780 8 D 4.6579 7.5460 116.7841 57.1291 41.3923 177.6940 9 M 3.9197 8.2060 118.7691 59.1192 32.1577 178.4538 10 L 4.2256 7.8129 118.1280 57.5576 41.7262 179.3712 11 T 4.0330 7.5381 109.8257 64.0131 69.1316 177.3925 12 R 3.8927 8.5150 121.3222 59.0797 30.0699 178.9644 13 I 3.6380 8.2463 119.8470 64.3913 37.0135 178.3312 14 R 3.8332 7.9943 119.6189 59.5603 29.8489 178.3376 15 N 4.4298 8.5782 116.4988 56.2161 38.7429 177.3896 16 G 3.9008 8.4390 107.5910 48.2799 0.0000 175.4622 17 Q 4.0309 8.2883 120.3088 58.7202 28.5552 178.9989 18 A 4.1781 7.7163 119.9950 54.0783 18.3726 178.4324 19 A 4.5373 7.7789 117.7029 50.8978 19.3589 176.0769 20 N 4.4921 7.8829 114.8853 54.0392 38.1206 174.1548 21 K 4.1530 8.0774 114.9959 55.5127 32.3595 176.9068 22 A 4.2808 8.7993 127.6533 54.8963 18.8506 175.7162 23 A 4.9258 7.2686 116.7469 53.1966 21.4134 174.4910 24 V 4.3220 7.5344 112.8105 62.3409 35.0788 171.3490 25 T 5.2868 8.4458 114.6665 61.2499 70.7035 171.8197 26 M 4.9228 8.8115 122.0930 53.3678 35.2297 171.9068 27 P 4.6976 0.0000 0.0000 62.5970 32.2945 176.2308 28 S 4.4767 8.9939 118.0708 57.4385 63.7118 173.3257 29 S 5.0859 8.5161 114.3426 59.8379 64.5393 180.4536 30 K 3.6261 7.9456 118.3461 57.6151 32.3938 177.1089 31 L 3.8034 5.6661 123.6763 58.9684 42.5185 177.2736 32 K 3.9089 8.0904 118.4621 60.1339 31.9843 177.8213 33 V 3.5737 7.9426 116.9140 66.5222 31.0064 178.6638 34 A 4.3464 8.5091 117.1290 52.5017 18.3684 178.2516 35 I 4.1728 8.1495 122.7376 64.3566 39.1072 177.6534 36 A 3.7327 7.2503 120.2968 55.0612 17.7289 179.2094 37 N 4.1176 7.2863 114.4377 56.5769 39.2990 176.8920 38 V 3.7357 7.4690 119.0034 65.3121 31.6225 177.5037 39 L 4.2947 8.0024 118.7511 56.7148 41.4581 178.4782 40 K 4.0904 7.7605 118.3021 58.8440 32.2276 177.9012 41 E 4.0819 7.9384 119.8994 59.2878 29.2094 177.5505 42 E 3.8374 7.7657 119.7137 55.9299 30.0925 174.2761 43 G 3.6919 7.4133 111.2806 46.1584 0.0000 173.4581 44 F 5.0509 9.0538 122.7441 56.0254 41.3977 175.5160 45 I 4.5684 7.5858 113.5979 59.1409 39.5639 174.3159 46 E 4.1724 8.5653 128.7066 58.8578 30.0317 176.0556 47 D 4.7881 7.7101 115.4873 53.5960 42.7420 174.2403 48 F 5.4049 8.7164 111.9872 55.8288 41.2880 174.2778 49 K 4.2555 9.3212 122.7187 54.8418 35.0277 175.5839 50 V 4.2095 8.3930 128.7696 60.9718 32.2841 175.1222 51 E 4.6596 8.4333 125.7712 54.1967 31.8448 175.9083 52 G 4.2672 7.8656 112.0936 45.7042 0.0000 170.9205 53 D 4.5981 8.7163 117.5543 55.6358 42.5585 176.5449 54 T 4.1518 7.3010 112.2626 62.4492 68.1425 175.3881 55 K 4.3581 7.3941 128.0015 53.4170 31.4942 173.2313 56 P 4.1959 0.0000 0.0000 62.9786 32.2564 176.2831 57 E 4.0799 8.4705 125.8949 57.8103 31.5476 175.0900 58 L 4.5983 7.4327 116.6097 55.1130 46.2904 173.6542 59 E 5.1855 8.4323 127.9723 54.3961 32.4297 174.5703 60 L 5.3012 8.5445 124.5920 53.3890 46.1685 175.5019 61 T 4.5442 8.6010 120.5860 62.2220 69.7148 174.6800 62 L 4.3649 8.2441 126.0232 54.6850 42.4285 176.6478 63 K 4.6714 8.3366 120.5422 54.9546 34.8798 175.0493 64 Y 5.1671 8.6331 121.2976 56.3583 42.1977 173.7100 65 F 5.2465 9.1374 124.6466 58.3602 38.8055 178.4907 66 Q 3.8790 8.5281 115.1073 55.4547 26.7768 175.5350 67 G 3.9131 8.2834 98.7883 45.8309 0.0000 173.0856 68 K 4.5018 7.7102 116.9852 54.3863 35.5726 174.1082 69 A 4.2462 8.7538 127.8646 52.1621 18.3276 178.8011 70 V 3.7296 7.8305 123.4836 64.9098 31.3416 177.1545 71 V 3.7063 6.9431 119.1024 61.2604 29.3145 175.2923 72 E 3.9597 8.1676 124.1251 58.2075 30.1324 177.3548 73 S 4.8820 7.4332 112.9900 57.1161 66.9500 172.8270 74 I 4.5820 7.9522 121.1705 60.6040 40.0006 173.6100 75 Q 4.6854 8.6197 128.3020 54.1833 32.4058 174.0951 76 R 4.7166 8.2126 119.4384 55.3455 32.8635 174.4155 77 V 4.1416 8.5555 120.0060 63.4808 35.2602 175.9237 78 S 4.4569 7.3480 115.1566 56.6530 61.3374 173.7934 79 R 4.0785 7.3040 119.5045 55.5471 30.4536 176.5130 80 P 4.1889 0.0000 0.0000 65.8391 31.3458 178.4032 81 G 3.6198 7.9358 104.6690 47.3999 0.0000 173.4378 82 L 4.1390 7.3654 120.1803 54.5880 43.1683 173.7526 83 R 4.1659 8.1806 124.6473 55.1472 31.4840 176.1323 84 I 4.3224 8.2309 123.1585 59.6120 39.6372 174.1520 85 Y 5.3303 8.3758 124.0108 56.1722 40.5668 175.3126 86 K 4.9214 9.0270 121.8162 54.6073 36.9130 176.7062 87 R 4.1091 9.0773 123.4249 55.3848 30.7122 177.8189 88 K 4.6085 8.5154 118.5837 59.3670 32.6028 177.7330 89 D 4.5664 8.1607 118.7989 56.7085 41.3721 178.3722 90 E 3.9661 7.8406 116.3574 58.3790 29.6431 177.5543 91 L 3.8736 7.3509 118.5976 54.5695 41.9846 175.2173 92 P 4.3777 0.0000 0.0000 61.9429 32.2324 175.5579 93 K 4.3143 8.3001 121.3182 55.0552 33.6440 176.0098 94 V 3.6404 8.0601 123.9186 63.2965 32.3530 175.3963 95 M 3.3199 9.0220 123.4924 55.5169 29.9833 177.1845 96 A 3.5318 8.4023 117.8160 52.5795 16.1892 177.4536 97 G 3.7476 7.5354 107.5022 44.4487 0.0000 170.9167 98 L 3.6199 8.7096 120.9172 55.6335 39.7396 176.4260 99 G 3.8679 8.8080 109.4140 46.0936 0.0000 172.2844 100 I 4.7864 8.0286 113.4325 59.0920 41.2360 174.0965 101 A 5.2527 8.0304 122.0361 51.6284 22.3613 176.4203 102 V 4.2003 8.6112 116.3946 61.7456 33.5401 175.7948 103 V 4.8076 8.6194 115.2175 60.2980 36.8863 173.2642 104 S 5.0453 9.0750 119.8693 57.3435 63.7109 173.1325 105 T 4.9876 8.2682 117.1919 59.5515 71.2976 174.2916 106 S 4.2742 8.6896 115.2064 60.7861 63.5593 175.6311 107 K 3.9982 8.3318 121.8311 57.0220 32.3240 176.6248 108 G 4.0064 7.1181 106.8347 45.2198 0.0000 170.4214 109 V 4.7203 7.7262 119.9985 62.2402 32.4356 174.8605 110 M 4.6304 8.6869 124.9110 55.0021 34.6999 173.9418 111 T 4.2158 8.6325 114.4067 64.8096 69.5653 175.2100 112 D 4.2885 8.6461 122.7025 57.5163 41.3740 178.6118 113 R 3.8320 8.0618 118.5151 59.6623 30.2117 178.1827 114 A 4.0702 8.0569 119.1990 54.5156 18.3269 179.3495 115 A 4.0324 7.6336 119.9395 55.3991 18.8821 180.0284 116 R 3.9244 7.9578 116.4874 59.9044 29.8055 177.7956 117 Q 3.9270 8.0204 117.6550 59.6175 28.7604 176.3095 118 A 4.3093 7.9164 121.9138 52.1253 18.9406 178.3454 119 G 3.9636 7.3072 103.9872 47.8606 0.0000 172.9631 120 L 4.9042 8.5695 123.0043 53.0431 46.3091 175.5127 121 G 4.4483 8.5601 106.8603 44.7462 0.0000 172.1978 122 G 4.9043 8.3963 109.8637 45.2888 0.0000 170.8781 123 E 4.9832 8.8521 120.8825 55.7417 30.5331 176.5576 124 I 4.2780 8.1459 127.6342 62.1219 37.9111 175.3568 125 I 4.6004 8.2526 121.1183 62.4241 40.5988 175.1208 126 C 4.5969 7.7401 114.3590 57.4574 32.8111 172.2380 127 Y 5.0232 7.6484 116.6391 56.4511 38.1466 174.2774 128 V 3.7582 8.3294 123.6360 62.3998 33.0095 175.6363 129 A 4.4004 8.2356 128.8219 52.0093 18.6844 176.4574 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.18 4.46 0.00 3.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 8.67 4.38 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 3 Q 8.40 4.06 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 4 D 7.66 4.77 0.00 2.60 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.40 0.00 2.19 2.07 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.33 0.00 6 I 7.77 3.62 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.87 0.00 0.00 7 A 8.37 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.55 4.66 0.00 2.87 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 8.21 3.92 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 10 L 7.81 4.23 0.00 1.71 1.65 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.54 4.03 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 12 R 8.52 3.89 0.00 1.98 2.02 0.00 3.22 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 13 I 8.25 3.64 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 0.85 0.00 0.00 14 R 7.99 3.83 0.00 1.98 2.02 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 15 N 8.58 4.43 0.00 2.84 2.84 0.00 0.00 6.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.44 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.29 4.03 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 18 A 7.72 4.18 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.78 4.54 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.88 4.49 0.00 2.81 2.77 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.08 4.15 0.00 1.88 1.79 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.67 1.56 7.81 22 A 8.80 4.28 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.27 4.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.53 4.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.95 0.00 0.00 25 T 8.45 5.29 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 26 M 8.81 4.92 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 27 P 0.00 4.70 0.00 2.11 2.10 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 28 S 8.99 4.48 0.00 4.15 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.52 5.09 0.00 4.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.95 3.63 0.00 1.90 1.67 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.36 7.81 31 L 5.67 3.80 0.00 1.63 1.74 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.09 3.91 0.00 1.84 1.82 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.52 7.81 33 V 7.94 3.57 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.01 0.00 0.00 34 A 8.51 4.35 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.15 4.17 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.00 0.86 0.00 0.00 36 A 7.25 3.73 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.29 4.12 0.00 2.57 2.81 0.00 0.00 6.93 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.47 3.74 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.00 0.00 0.00 39 L 8.00 4.29 0.00 1.86 1.82 0.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.76 4.09 0.00 1.88 2.08 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.75 7.81 41 E 7.94 4.08 0.00 2.16 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.45 0.00 42 E 7.77 3.84 0.00 1.74 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 43 G 7.41 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 9.05 5.05 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.59 4.57 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 0.94 0.00 0.00 46 E 8.57 4.17 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 47 D 7.71 4.79 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.72 5.40 0.00 3.20 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 9.32 4.26 0.00 1.74 1.64 0.00 1.41 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 50 V 8.39 4.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.05 0.00 0.00 51 E 8.43 4.66 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 52 G 7.87 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.72 4.60 0.00 2.60 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.30 4.15 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 55 K 7.39 4.36 0.00 1.76 1.76 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.50 7.81 56 P 0.00 4.20 0.00 2.19 2.02 0.00 3.53 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 57 E 8.47 4.08 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 58 L 7.43 4.60 0.00 1.80 1.66 0.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.43 5.19 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 60 L 8.54 5.30 0.00 1.71 1.54 0.96 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.60 4.54 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 62 L 8.24 4.36 0.00 1.80 1.55 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.34 4.67 0.00 1.78 1.70 0.00 1.57 0.00 0.00 1.94 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.53 7.81 64 Y 8.63 5.17 0.00 3.08 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.14 5.25 0.00 2.82 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.53 3.88 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 67 G 8.28 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.71 4.50 0.00 1.85 1.67 0.00 1.67 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.54 7.81 69 A 8.75 4.25 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.83 3.73 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.12 0.00 0.00 71 V 6.94 3.71 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.81 0.00 0.00 72 E 8.17 3.96 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 73 S 7.43 4.88 0.00 3.71 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.95 4.58 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.45 0.89 0.00 0.00 75 Q 8.62 4.69 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.39 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 76 R 8.21 4.72 0.00 1.69 1.68 0.00 3.29 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 77 V 8.56 4.14 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 -0.05 0.00 0.00 78 S 7.35 4.46 0.00 3.78 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.30 4.08 0.00 1.98 1.99 0.00 2.99 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 80 P 0.00 4.19 0.00 2.04 2.15 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 81 G 7.94 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.37 4.14 0.00 1.55 1.49 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.18 4.17 0.00 1.60 1.26 0.00 3.41 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 84 I 8.23 4.32 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.36 0.87 0.00 0.00 85 Y 8.38 5.33 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 9.03 4.92 0.00 1.71 1.67 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.44 7.81 87 R 9.08 4.11 0.00 1.91 1.86 0.00 3.17 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 88 K 8.52 4.61 0.00 1.86 2.02 0.00 1.17 0.00 0.00 2.37 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.47 7.81 89 D 8.16 4.57 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.84 3.97 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 91 L 7.35 3.87 0.00 1.59 2.01 1.08 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.38 0.00 1.87 2.06 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 93 K 8.30 4.31 0.00 1.82 1.82 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.31 7.81 94 V 8.06 3.64 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.55 0.00 0.00 95 M 9.02 3.32 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 96 A 8.40 3.53 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.54 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.71 3.62 0.00 1.84 1.63 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.03 4.79 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.16 1.01 0.00 0.00 101 A 8.03 5.25 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.61 4.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 103 V 8.62 4.81 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.03 0.00 0.00 104 S 9.08 5.05 0.00 3.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.27 4.99 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 106 S 8.69 4.27 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.33 4.00 0.00 1.74 1.88 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.44 7.81 108 G 7.12 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.73 4.72 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.94 0.00 0.00 110 M 8.69 4.63 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 111 T 8.63 4.22 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 112 D 8.65 4.29 0.00 3.03 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.06 3.83 0.00 1.88 1.92 0.00 3.40 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 114 A 8.06 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.63 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.96 3.92 0.00 2.02 2.00 0.00 3.15 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 117 Q 8.02 3.93 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.60 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 118 A 7.92 4.31 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 7.31 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.57 4.90 0.00 1.60 1.55 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.56 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.40 4.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.85 4.98 0.00 2.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 124 I 8.15 4.28 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.98 0.95 0.00 0.00 125 I 8.25 4.60 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.91 0.86 0.00 0.00 126 C 7.74 4.60 0.00 3.02 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.65 5.02 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.33 3.76 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.90 0.00 0.00 129 A 8.24 4.40 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00